Geometry & MOs

Info

ID:	49970
PubChem CID:	11538515
Reduced:	ClN2O3H21C22 (1)
Stoich.:	AB2C3D21E22 (1)
Weight, g/mol:	397.191403
ΔH_f, kcal/mol:	-80.9
Dipole, Da:	5.1
IP(EA), eV:	-8.66(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-[4-(4-fluoro-2-methylphenoxy)piperidin-1-yl]-5-methyl-1,2,4-triazol-4-yl]-2-methoxypyridine

Drug info:

PubChemData

Smile

CN(C1=CC=C(C=C1)Cl)C(=O)[C@@H]2CCC3=C(C2)C4=CC=CC=C4N3CC(=O)O

DOS

IR

Vibrations